N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

C17H21N5OS — CID 71878887

IUPACN-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H21N5OS/c23-17(22-10-9-21-8-2-1-3-15(21)11-22)18-14-6-4-13(5-7-14)16-12-24-20-19-16/h4-7,12,15H,1-3,8-11H2,(H,18,23)
InChIKeyFGUBAEKUNZEVSB-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.91
Rot. Bonds2

About N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (PubChem CID 71878887) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
PubChem CID71878887
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H21N5OS/c23-17(22-10-9-21-8-2-1-3-15(21)11-22)18-14-6-4-13(5-7-14)16-12-24-20-19-16/h4-7,12,15H,1-3,8-11H2,(H,18,23)
InChIKeyFGUBAEKUNZEVSB-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (CID 71878887) is N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is O=C(Nc1ccc(-c2csnn2)cc1)N1CCN2CCCCC2C1.
What is the InChIKey of N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The InChIKey is FGUBAEKUNZEVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-17(22-10-9-21-8-2-1-3-15(21)11-22)18-14-6-4-13(5-7-14)16-12-24-20-19-16/h4-7,12,15H,1-3,8-11H2,(H,18,23).
What are the key properties of N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 71878887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).